Name | Value |
---|---|
InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3 | |
HYPPXZBJBPSRLK-UHFFFAOYSA-N | |
C30H32N2O2 | |
452.246378264 | |
N#CC(C=1C=CC=CC1)(C=2C=CC=CC2)CCN3CCC(C(=O)OCC)(C=4C=CC=CC4)CC3 |
External Identifier | Value |
---|---|
13505 |
Name | Value |
---|---|
CO000138 | |
2016.01.19 (Created 2008.07.15, modified 2012.11.20) | |
Dennis W. Hill, Tzipporah M. Kertesz, Robert Friedman, David F. Grant | |
CC BY-SA | |
Mass Spectral Metabonomics beyond Elemental Formula: Chemical Database Querying by Matching Experimental with Computational Fragmentation Spectra, http://pubs.acs.org/doi/abs/10.1021/ac800548g | |
452.24638 | |
Micromass Q-TOF II | |
LC-ESI-QTOF | |
MS2 | |
30 eV | |
ESI | |
positive | |
2.1550511464182986 | |
0.669504281516215 | |
453.25432 | |
[M+H]+ | |
0.06235792739840177 ppm | |
-2.8263999979571963E-5 Da |